1.0 2010-04-08 22:08:50 UTC 2025-11-18 23:17:54 UTC FDB009851 Methyl cis-5-octenoate It is used as a food additive . C9H16O2 156.225 156.115029755 methyl oct-5-enoate methyl oct-5-enoate 41654-15-3 CCC=CCCCC(=O)OC InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h4-5H,3,6-8H2,1-2H3 TUHAYWWWVLJJJM-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group. Fatty acid methyl esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid methyl ester Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 2.96 ALOGPS logs -2.51 ALOGPS solubility 4.82e-01 g/l ALOGPS logp 2.48 ChemAxon pka_strongest_basic -7 ChemAxon iupac methyl oct-5-enoate ChemAxon average_mass 156.225 ChemAxon mono_mass 156.115029755 ChemAxon smiles CCC=CCCCC(=O)OC ChemAxon formula C9H16O2 ChemAxon inchi InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h4-5H,3,6-8H2,1-2H3 ChemAxon inchikey TUHAYWWWVLJJJM-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 46.16 ChemAxon polarizability 18.53 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 43329 Specdb::MsMs 43330 Specdb::MsMs 43331 Specdb::MsMs 130872 Specdb::MsMs 130873 Specdb::MsMs 130874 Specdb::MsMs 3605047 Specdb::MsMs 3605048 Specdb::MsMs 3605049 Specdb::MsMs 3605050 Specdb::MsMs 3605051 Specdb::MsMs 3605052 coconut creamy dairy